5-pentyl-6-phenyl-2-propylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-pentyl-6-phenyl-2-propylsulfanyl-1,3-diazinan-4-one Openeye Name: 5-pentyl-6-phenyl-2-propylsulfanyl-hexahydropyrimidin-4-one CAS Name: 5-pentyl-6-phenyl-2-(propylthio)-1,3-diazinan-4-one IUPAC Name: 5-pentyl-6-phenyl-2-propylsulfanyl-1,3-diazinan-4-one Traditional Name: 5-amyl-6-phenyl-2-(propylthio)hexahydropyrimidin-4-one Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCCC)C2=CC=CC=C2

InChI

InChI=1S/C18H28N2OS/c1-3-5-7-12-15-16(14-10-8-6-9-11-14)19-18(20-17(15)21)22-13-4-2/h6,8-11,15-16,18-19H,3-5,7,12-13H2,1-2H3,(H,20,21)